5-ethanoyl-6-methyl-4-phenyl-2-(phenylsulfanylmethylsulfanyl)-1,4-dihydropyridine-3-carbonitrile

Systemtic Name: 5-ethanoyl-6-methyl-4-phenyl-2-(phenylsulfanylmethylsulfanyl)-1,4-dihydropyridine-3-carbonitrile Openeye Name: 5-acetyl-6-methyl-4-phenyl-2-(phenylsulfanylmethylsulfanyl)-1,4-dihydropyridine-3-carbonitrile CAS Name: 5-acetyl-6-methyl-4-phenyl-2-[(phenylthio)methylthio]-1,4-dihydropyridine-3-carbonitrile IUPAC Name: 5-acetyl-6-methyl-4-phenyl-2-(phenylsulfanylmethylsulfanyl)-1,4-dihydropyridine-3-carbonitrile Traditional Name: 5-acetyl-6-methyl-4-phenyl-2-[(phenylthio)methylthio]-1,4-dihydropyridine-3-carbonitrile Formula: C22H20N2OS2 MolecularWeight: 392.537

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)SCSC2=CC=CC=C2)C#N)C3=CC=CC=C3)C(=O)C

Isomeric SMILES

CC1=C(C(C(=C(N1)SCSC2=CC=CC=C2)C#N)C3=CC=CC=C3)C(=O)C

InChI

InChI=1S/C22H20N2OS2/c1-15-20(16(2)25)21(17-9-5-3-6-10-17)19(13-23)22(24-15)27-14-26-18-11-7-4-8-12-18/h3-12,21,24H,14H2,1-2H3